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At least 1,387 records · Page 77
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DOE OSTI2020

Materials Data on Ge4Rh by Materials Project

RhGe4 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Rh is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.55–2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Rh atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Rh and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGe3Pd by Materials Project

EuPdGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to four equivalent Pd and twelve Ge atoms. All Eu–Pd bond lengths are 3.51 Å. There are a spread of Eu–Ge bond distances ranging from 3.30–3.49 Å. Pd is bonded in a 5-coordinate geometry to four equivalent Eu and five Ge atoms. There are one shorter (2.48 Å) and four longer (2.51 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Eu, two equivalent Pd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Eu, one Pd, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe12Ge3As2 by Materials Project

Fe12Ge3As2 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to three equivalent Fe, two equivalent Ge, and two As atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.91 Å. There are one shorter (2.41 Å) and one longer (2.52 Å) Fe–Ge bond lengths. There are one shorter (2.45 Å) and one longer (2.64 Å) Fe–As bond lengths. In the second Fe site, Fe is bonded in a 4-coordinate geometry to three equivalent Fe, two equivalent Ge, and two As atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.90 Å. There are one shorter (2.41 Å) and one longer (2.52 Å) Fe–Ge bond lengths. There are one shorter (2.46 Å) and one longer (2.64 Å) Fe–As bond lengths. In the third Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Fe and three equivalent Ge atoms. All Fe–Fe bond lengths are 2.47 Å. All Fe–Ge bond lengths are 2.38 Å. In the fourth Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Fe and three equivalent Ge atoms. All Fe–Fe bond lengths are 2.47 Å. All Fe–Ge bond lengths are 2.38 Å. In the fifth Fe site, Fe is bonded in a trigonal bipyramidal geometry to three equivalent Ge and two As atoms. All Fe–Ge bond lengths are 2.38 Å. Both Fe–As bond lengths are 2.33 Å. In the sixth Fe site, Fe is bonded in a 2-coordinate geometry to ten Fe, two equivalent Ge, and two As atoms. Both Fe–Fe bond lengths are 2.84 Å. Both Fe–Ge bond lengths are 2.74 Å. Both Fe–As bond lengths are 2.68 Å. Ge is bonded in a 9-coordinate geometry to nine Fe atoms. There are two inequivalent As sites. In the first As site, As is bonded in a 10-coordinate geometry to ten Fe atoms. In the second As site, As is bonded in a 10-coordinate geometry to ten Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Ge13Rh4 by Materials Project

Ca3Rh4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to four equivalent Rh and twelve equivalent Ge atoms. All Ca–Rh bond lengths are 3.20 Å. There are eight shorter (3.17 Å) and four longer (3.25 Å) Ca–Ge bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Ge atoms. All Rh–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Ca, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 3.03 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGe3Ir by Materials Project

EuIrGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Ge atoms. All Eu–Ir bond lengths are 3.52 Å. There are a spread of Eu–Ge bond distances ranging from 3.28–3.42 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Eu and five Ge atoms. There are one shorter (2.40 Å) and four longer (2.47 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Eu, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.77 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Eu, one Ir, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3NiGe2 by Materials Project

Sm3NiGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The Sm–Ni bond length is 2.88 Å. There are a spread of Sm–Ge bond distances ranging from 3.05–3.27 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to two equivalent Ni and five Ge atoms. Both Sm–Ni bond lengths are 2.89 Å. There are a spread of Sm–Ge bond distances ranging from 3.04–3.68 Å. In the third Sm site, Sm is bonded in a 8-coordinate geometry to three equivalent Ni and five Ge atoms. There are one shorter (3.01 Å) and two longer (3.07 Å) Sm–Ni bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.02–3.12 Å. Ni is bonded in a 9-coordinate geometry to six Sm and three Ge atoms. There are one shorter (2.52 Å) and two longer (2.53 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Sm and two equivalent Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Sm and one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3CoGe2 by Materials Project

Pr3CoGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to three equivalent Co and five Ge atoms. There are two shorter (3.08 Å) and one longer (3.19 Å) Pr–Co bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.00–3.17 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to one Co and five Ge atoms. The Pr–Co bond length is 2.93 Å. There are a spread of Pr–Ge bond distances ranging from 3.08–3.32 Å. In the third Pr site, Pr is bonded in a 7-coordinate geometry to two equivalent Co and five Ge atoms. Both Pr–Co bond lengths are 2.88 Å. There are a spread of Pr–Ge bond distances ranging from 3.07–3.72 Å. Co is bonded in a 9-coordinate geometry to six Pr and three Ge atoms. There are one shorter (2.54 Å) and two longer (2.57 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Pr and two equivalent Co atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Pr and one Co atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Ge13Rh4 by Materials Project

Tb3Rh4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Rh and twelve equivalent Ge atoms. All Tb–Rh bond lengths are 3.20 Å. There are eight shorter (3.14 Å) and four longer (3.24 Å) Tb–Ge bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Tb and six equivalent Ge atoms. All Rh–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Tb, two equivalent Rh, and two Ge atoms. There are one shorter (2.67 Å) and one longer (3.11 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Ge13Ir4 by Materials Project

Y3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Y–Ir bond lengths are 3.20 Å. There are eight shorter (3.14 Å) and four longer (3.24 Å) Y–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Y and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Y, two equivalent Ir, and two Ge atoms. There are one shorter (2.65 Å) and one longer (3.08 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb(GeAs)3 by Materials Project

Rb(GeAs)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six As3- atoms. There are a spread of Rb–As bond distances ranging from 3.46–3.93 Å. There are three inequivalent Ge+2.67+ sites. In the first Ge+2.67+ site, Ge+2.67+ is bonded to four As3- atoms to form corner-sharing GeAs4 tetrahedra. There are a spread of Ge–As bond distances ranging from 2.45–2.50 Å. In the second Ge+2.67+ site, Ge+2.67+ is bonded in a distorted trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.52 Å) and two longer (2.53 Å) Ge–As bond lengths. In the third Ge+2.67+ site, Ge+2.67+ is bonded in a water-like geometry to two equivalent As3- atoms. Both Ge–As bond lengths are 2.56 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded to three equivalent Rb1+ and three Ge+2.67+ atoms to form distorted AsRb3Ge3 octahedra that share corners with two equivalent AsRb2Ge3 square pyramids, edges with four equivalent AsRb3Ge3 octahedra, and edges with three equivalent AsRb2Ge3 square pyramids. In the second As3- site, As3- is bonded to two equivalent Rb1+ and three Ge+2.67+ atoms to form distorted AsRb2Ge3 square pyramids that share corners with two equivalent AsRb3Ge3 octahedra, edges with three equivalent AsRb3Ge3 octahedra, and edges with two equivalent AsRb2Ge3 square pyramids. The corner-sharing octahedral tilt angles are 18°. In the third As3- site, As3- is bonded in a rectangular see-saw-like geometry to one Rb1+ and three Ge+2.67+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Ge13Rh4 by Materials Project

Sm3Rh4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Rh and twelve equivalent Ge atoms. All Sm–Rh bond lengths are 3.21 Å. There are eight shorter (3.16 Å) and four longer (3.23 Å) Sm–Ge bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ge atoms. All Rh–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Sm, two equivalent Rh, and two Ge atoms. There are one shorter (2.71 Å) and one longer (3.12 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiNdGe2 by Materials Project

LiNdGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.55–2.74 Å. Nd is bonded in a 6-coordinate geometry to nine Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.09–3.41 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Nd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Nd, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiLaGe2 by Materials Project

LiLaGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.62–2.76 Å. La is bonded in a 6-coordinate geometry to nine Ge atoms. There are a spread of La–Ge bond distances ranging from 3.16–3.46 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent La, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent La, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Ge13Os4 by Materials Project

Pr3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Pr–Os bond lengths are 3.25 Å. There are eight shorter (3.26 Å) and four longer (3.28 Å) Pr–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Ge atoms. All Os–Ge bond lengths are 2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Pr, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.03 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Co4Ge13 by Materials Project

Er3Co4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Ge atoms. All Er–Co bond lengths are 3.10 Å. There are four shorter (3.08 Å) and eight longer (3.09 Å) Er–Ge bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ge atoms. All Co–Ge bond lengths are 2.40 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Er, two equivalent Co, and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.68–2.99 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Ge13Ir4 by Materials Project

Ho3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Ho–Ir bond lengths are 3.19 Å. There are eight shorter (3.14 Å) and four longer (3.24 Å) Ho–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Ho, two equivalent Ir, and two Ge atoms. There are one shorter (2.65 Å) and one longer (3.09 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiEuGe2 by Materials Project

LiEuGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Eu and five Ge atoms. There are two shorter (3.55 Å) and two longer (3.57 Å) Li–Eu bond lengths. There are a spread of Li–Ge bond distances ranging from 2.62–2.75 Å. Eu is bonded in a 6-coordinate geometry to four equivalent Li and nine Ge atoms. There are a spread of Eu–Ge bond distances ranging from 3.15–3.42 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to three equivalent Li, four equivalent Eu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.53 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Eu, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Ge13Ru4 by Materials Project

Sm3Ru4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ru and twelve equivalent Ge atoms. All Sm–Ru bond lengths are 3.22 Å. There are eight shorter (3.22 Å) and four longer (3.25 Å) Sm–Ge bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ge atoms. All Ru–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Sm, two equivalent Ru, and one Ge atom. The Ge–Ge bond length is 3.00 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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